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4,7-Methano-1,3-benzodioxole-2,5,6-trione, 3a,7a-dichlorotetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
SpectraBase Compound ID I9WgQokXCvG
InChI InChI=1S/C8H4Cl2O5/c9-7-2-1-3(5(12)4(2)11)8(7,10)15-6(13)14-7/h2-3H,1H2/t2-,3+,7+,8-
InChIKey ZDUVUKHPPUHPFZ-XCXOJFCMSA-N
Mol Weight 251.02 g/mol
Molecular Formula C8H4Cl2O5
Exact Mass 249.943579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Stk3DqHdXg
Name 4,7-Methano-1,3-benzodioxole-2,5,6-trione, 3a,7a-dichlorotetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-
CAS Registry Number 70841-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4Cl2O5
InChI InChI=1S/C8H4Cl2O5/c9-7-2-1-3(5(12)4(2)11)8(7,10)15-6(13)14-7/h2-3H,1H2/t2-,3+,7+,8-
InChIKey ZDUVUKHPPUHPFZ-XCXOJFCMSA-N
Molecular Weight 251.021 g/mol
SMILES [C@]12([C@]([C@]3([H])C[C@]2(C(C3=O)=O)[H])(OC(O1)=O)Cl)Cl
SPLASH splash10-00kr-9510000000-d9a7980e6cfa313351a8
Source of Spectrum K-112-2219-0
Synonyms (1R,2S,6R,7S)-2,6-dichloro-3,5-dioxatricyclo[5.2.1.0(2,6)]decane-4,8,9-trione 5,6-Carbonyldioxy-5,6-dichlorobicyclo(2.2.1)heptan-2,3-dione
Wiley ID 1252578